AI 3-27235
Basic information
- CAS
18936-52-2- Standard SMILES
COP(=S)(OC)Oc1ccc(Cl)cc1C#N- InChIKey
LNGDRCGNQRERED-UHFFFAOYSA-N- Molecular formula
- C9H9ClNO3PS
- Average molar mass
- 277.66 g/mol
- Monoisotopic mass
- 276.972929
Names & identifiers
- Preferred name
- AI 3-27235
- IUPAC
- 5-chloro-2-dimethoxyphosphinothioyloxybenzonitrile
Names & synonyms
18936-52-2AI 3-27235RefChem:1076241Bayer 54203ENT 27,235BRN 2657073AI3-27235O,O-Dimethyl phosphorothioate O-ester with 5-chlorosalicylonitrilePhosphorothioic acid, O-(4-chloro-2-cyanophenyl) O,O-dimethyl estero-(4-chloro-2-cyanophenyl) o,o-dimethyl phosphorothioatePhosphorothioic acid, O,O-dimethyl-, O-ester with 5-chlorosalicylonitrileDTXSID00879753
Show more names
Phosphorothioic acid, O-(4-chloro-2-cyanophenyl) O,O-dimethyl estter
Database identifiers
- CAS
18936-52-2- PubChem CID
- 167771
- DTXSID
DTXSID00879753- Nikkaji
- J14.995K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Experimental & physicochemical properties
LogP3.41
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…